1-(bromomethyl)-4,4-dimethylpiperidine-2,6-dione

C8H12BrNO2 — CID 15266440

IUPAC1-(bromomethyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CBr)C(=O)C1
InChIInChI=1S/C8H12BrNO2/c1-8(2)3-6(11)10(5-9)7(12)4-8/h3-5H2,1-2H3
InChIKeyCBZLIFJTKZPTDM-UHFFFAOYSA-N
MW234.09 g/mol
LogP1.51
Rot. Bonds1

About 1-(bromomethyl)-4,4-dimethylpiperidine-2,6-dione

1-(bromomethyl)-4,4-dimethylpiperidine-2,6-dione (PubChem CID 15266440) has the molecular formula C8H12BrNO2 and a molecular weight of 234.09 g/mol. Its IUPAC name is 1-(bromomethyl)-4,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(bromomethyl)-4,4-dimethylpiperidine-2,6-dione
PubChem CID15266440
Molecular FormulaC8H12BrNO2
Molecular Weight234.09 g/mol
Exact Mass233.01
IUPAC Name1-(bromomethyl)-4,4-dimethylpiperidine-2,6-dione
SMILESCC1(C)CC(=O)N(CBr)C(=O)C1
InChIInChI=1S/C8H12BrNO2/c1-8(2)3-6(11)10(5-9)7(12)4-8/h3-5H2,1-2H3
InChIKeyCBZLIFJTKZPTDM-UHFFFAOYSA-N
XLogP1.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.09
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-4,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 1-(bromomethyl)-4,4-dimethylpiperidine-2,6-dione (CID 15266440) is 1-(bromomethyl)-4,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 1-(bromomethyl)-4,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 1-(bromomethyl)-4,4-dimethylpiperidine-2,6-dione is CC1(C)CC(=O)N(CBr)C(=O)C1.
What is the InChIKey of 1-(bromomethyl)-4,4-dimethylpiperidine-2,6-dione?
The InChIKey is CBZLIFJTKZPTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNO2/c1-8(2)3-6(11)10(5-9)7(12)4-8/h3-5H2,1-2H3.
What are the key properties of 1-(bromomethyl)-4,4-dimethylpiperidine-2,6-dione?
1-(bromomethyl)-4,4-dimethylpiperidine-2,6-dione has a molecular weight of 234.09 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-4,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 15266440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).